Quadratic unconstrained binary optimization and constraint programming approaches for lattice-based cyclic peptide docking
Abstract The peptide-protein docking problem is an important problem in structural biology that facilitates rational and efficient drug design. In this work, we explore modeling and solving this problem with the quantum-amenable quadratic unconstrained binary optimization (QUBO) formalism. Our work...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-025-05565-1 |
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